Friday, March 8, 2024
11:30AM - 12:06PM
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Z60.00001: Information-theoretic approaches to calculating thermodynamic entropy
Invited Speaker:
Michael Widom
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Friday, March 8, 2024
12:06PM - 12:18PM
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Z60.00002: Free energy of the order-disorder phase transition in FeV from molecular dynamics
BIMAL K C, Cesar Diaz-Caraveo, Jorge A Munoz
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Friday, March 8, 2024
12:18PM - 12:30PM
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Z60.00003: Thermodynamic Integration Using Interatomic Force Constants without Molecular Dynamics
Junsoo Park, Zhigang Wu, John W Lawson
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Friday, March 8, 2024
12:30PM - 12:42PM
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Z60.00004: Anansi: Progress Towards Developing a Highly Extensible High Performance Computing Molecular Dynamics Code Based on Generic Design Patterns
Arnold N Tharrington
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Friday, March 8, 2024
12:42PM - 12:54PM
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Z60.00005: Analyzing Dielectric Constants and Electrostatic Energies of Ionic Liquids: Mean-Field Theory and Stockmayer Fluid Simulation
Siddharth S Karkhanis, Issei Nakamura
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Friday, March 8, 2024
12:54PM - 1:06PM
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Z60.00006: A Novel High-Performance Framework for Concurrent Continuum-Atomistic Simulations
Tim Linke, Dane M Sterbentz, Jonathan L Belof, Jean-Pierre Delplanque
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Friday, March 8, 2024
1:06PM - 1:18PM
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Z60.00007: Dimensional Reduction and Commensurate-Incommensurate Magnetic Order Transition in FeI2
Ying Wai Li, Matthew S Wilson, Kipton Barros, Martin P Mourigal, Cristian D Batista, Xiaojian Bai
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Friday, March 8, 2024
1:18PM - 1:30PM
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Z60.00008: Surface Phase Diagrams from Nested Sampling
Mingrui Yang, Livia B Pártay, Robert B Wexler
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Friday, March 8, 2024
1:30PM - 1:42PM
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Z60.00009: Machine learning structural phases of a flexible Stockmayer polymer
Dilina Perera, Samuel D McAllister, Thomas Vogel
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Friday, March 8, 2024
1:42PM - 1:54PM
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Z60.00010: Studying Interfacial Phenomena of Ionic Liquids Using Accurate Dynamics Coarse-Grained Models
Sergiy Markutsya, Tyler D Stoffel, John W Lawson, Justin B Haskins
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Friday, March 8, 2024
1:54PM - 2:06PM
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Z60.00011: Accurate volume estimates for basins of attraction of jammed systems
Praharsh Suryadevara, Mathias Casiulis, Stefano Martiniani
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Friday, March 8, 2024
2:06PM - 2:18PM
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Z60.00012: Title: On-the-fly graph-theoretical basin generation method for kinetic Monte Carlo approaches
Md Mijanur Rahman
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Friday, March 8, 2024
2:18PM - 2:30PM
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Z60.00013: Assessing the Accuracy of Various Exchange-Correlation Functionals in Capturing Nuclear Quantum Effects on the Melting Point of Ice Ih
Yifan Li, Bingjia Yang, Chunyi Zhang, Roberto Car
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